Glycoside
GD074245
Name:
NoneFormula:
C17H21O7N2ClSmiles:
O=C([C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O)N1CC2(CN(Cc3ccc(Cl)o3)C2)C1Aglycone:
O=CN1CC2(C1)CN(Cc1ccc(Cl)o1)C2Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.69 |
| AlogP: | -1.62 | Num_rotatable_bonds: | 3 |
| MolWt: | 388.8 | Num_heavy_atoms: | 26 |
| TPSA: | 126.84 | NumAromaticRings: | 1 |
Unique Aglycone
AD34320
Formula: C12H13O2N2Cl
Smiles:
O=CN1CC2(C1)CN(Cc1ccc(Cl)o1)C2| HBA: | 4 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.55 |
| AlogP: | 1.21 | Num_rotatable_bonds: | 3 |
| MolWt: | 240.69 | Num_heavy_atoms: | 16 |
| TPSA: | 36.69 | NumAromaticRings: | 1 |
